COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.013  -3.662   1.299  1.00  0.00           N  
HETATM    2  N   UNL     1       0.731  -1.569   0.140  1.00  0.00           N  
HETATM    3  C   UNL     1       0.768  -3.802   0.881  1.00  0.00           C  
HETATM    4  C   UNL     1       0.108  -2.731   0.286  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.207  -2.880  -0.155  1.00  0.00           N  
HETATM    6  C   UNL     1       1.981  -1.432   0.561  1.00  0.00           C  
HETATM    7  C   UNL     1       2.635  -2.506   1.154  1.00  0.00           C  
HETATM    8  N   UNL     1       2.640  -0.209   0.408  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.120  -1.863  -0.299  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.312  -2.451  -0.765  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.807  -4.087  -0.528  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.043  -3.881  -0.887  1.00  0.00           C  
HETATM   13  C   UNL     1       3.951   0.033   0.710  1.00  0.00           C  
HETATM   14  C   UNL     1       4.217   1.324   0.426  1.00  0.00           C  
HETATM   15  C   UNL     1       3.030   1.901  -0.069  1.00  0.00           C  
HETATM   16  C   UNL     1       2.083   0.942  -0.075  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.435  -1.652  -1.007  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.147   1.661  -0.112  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.372  -0.307  -0.790  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.194   0.282  -0.328  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.072  -0.489  -0.083  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.331   2.483  -0.370  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.911   3.933  -0.672  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.562   4.815   0.413  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.801   3.846   1.598  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.223   2.536   0.888  1.00  0.00           C  
HETATM   27  O   UNL     1       5.905   1.286  -1.603  1.00  0.00           O  
HETATM   28  O   UNL     1       7.578   2.434  -0.726  1.00  0.00           O  
HETATM   29  C   UNL     1       5.540   2.021   0.605  1.00  0.00           C  
HETATM   30  C   UNL     1       6.354   1.886  -0.656  1.00  0.00           C  
HETATM   31  H   UNL     1       0.262  -4.749   1.001  1.00  0.00           H  
HETATM   32  H   UNL     1       3.653  -2.395   1.496  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.742  -4.633  -1.220  1.00  0.00           H  
HETATM   34  H   UNL     1       4.652  -0.686   1.108  1.00  0.00           H  
HETATM   35  H   UNL     1       2.903   2.925  -0.389  1.00  0.00           H  
HETATM   36  H   UNL     1       1.061   1.062  -0.401  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.351  -2.099  -1.365  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.330   2.074   0.209  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.240   0.307  -0.978  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.163  -0.028   0.274  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.893   2.075  -1.210  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.826   4.024  -0.627  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.270   4.228  -1.658  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.886   5.618   0.707  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.508   5.223   0.057  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.883   3.699   2.167  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.602   4.212   2.240  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.275   2.575   0.608  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.029   1.676   1.529  1.00  0.00           H  
HETATM   50  H   UNL     1       8.062   2.321  -1.556  1.00  0.00           H  
HETATM   51  H   UNL     1       5.369   3.077   0.816  1.00  0.00           H  
HETATM   52  H   UNL     1       6.080   1.567   1.437  1.00  0.00           H  
CONECT    1    3    3    7                                            
CONECT    2    4    4    6                                            
CONECT    3    1    1    4   31                                       
CONECT    4    2    2    3    5                                       
CONECT    5    4    9   11                                            
CONECT    6    2    7    7    8                                       
CONECT    7    1    6    6   32                                       
CONECT    8    6   13   16                                            
CONECT    9    5   10   10   21                                       
CONECT   10    9    9   12   17                                       
CONECT   11    5   12   12                                            
CONECT   12   10   11   11   33                                       
CONECT   13    8   14   14   34                                       
CONECT   14   13   13   15   29                                       
CONECT   15   14   16   16   35                                       
CONECT   16    8   15   15   36                                       
CONECT   17   10   19   19   37                                       
CONECT   18   20   22   38                                            
CONECT   19   17   17   20   39                                       
CONECT   20   18   19   21   21                                       
CONECT   21    9   20   20   40                                       
CONECT   22   18   23   26   41                                       
CONECT   23   22   24   42   43                                       
CONECT   24   23   25   44   45                                       
CONECT   25   24   26   46   47                                       
CONECT   26   22   25   48   49                                       
CONECT   27   30   30                                                 
CONECT   28   30   50                                                 
CONECT   29   14   30   51   52                                       
CONECT   30   27   27   28   29                                       
CONECT   31    3                                                      
CONECT   32    7                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
